Reject zero rate coefficients and improve collision limit checks - #2992

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calvinp0 wants to merge 8 commits into

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Commits on Aug 21, 2026

Reject zero rate coefficients when fitting Arrhenius in log space
calvinp0
committed
6e32390
Keep collision limit checks alive when a rate cannot be evaluated
calvinp0
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2a1015c
Derive the reverse rate derivative from Keq instead of kb/kf
calvinp0
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4465157
Check the reverse collision limit when reactants lack transport data
calvinp0
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15cafa0
Fix argument documentation and table markup in canteramodel

rwest
authored and
calvinp0
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a6ff22f
Drop underflowed samples before fitting a reverse rate coefficient
calvinp0
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8dff1f3
Mark irreversible reactions with Keq = inf in every reactor
calvinp0
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5a02e7a
Report how many collision limit checks were skipped
calvinp0
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1f3f0c7